Glycoside
GD157786
Name:
Herbacetin 7-Methyl Ether 3-(2''-(E)-Feruloylglucoside)Formula:
C32H30O15Smiles:
COc1cc(C=CC(=O)OC2C(Oc3c(-c4ccc(O)cc4)oc4c(O)c(OC)cc(O)c4c3=O)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.58 | Num_heavy_atoms: | 47 |
| TPSA: | 235.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45681
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
